4-[methyl-[[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]methyl]amino]-N-(2-oxidanylidenebutyl)benzamide

Systemtic Name: 4-[methyl-[[2-(methylamino)-4-oxidanylidene-1H-pteridin-6-yl]methyl]amino]-N-(2-oxidanylidenebutyl)benzamide Openeye Name: 4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]-N-(2-oxobutyl)benzamide CAS Name: 4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]-N-(2-oxobutyl)benzamide IUPAC Name: 4-[methyl-[[2-(methylamino)-4-oxo-1H-pteridin-6-yl]methyl]amino]-N-(2-oxobutyl)benzamide Traditional Name: N-(2-ketobutyl)-4-[[4-keto-2-(methylamino)-1H-pteridin-6-yl]methyl-methyl-amino]benzamide Formula: C20H23N7O3 MolecularWeight: 409.44172

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)CNC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=O)N=C(N3)NC

Isomeric SMILES

CCC(=O)CNC(=O)C1=CC=C(C=C1)N(C)CC2=CN=C3C(=N2)C(=O)N=C(N3)NC

InChI

InChI=1S/C20H23N7O3/c1-4-15(28)10-23-18(29)12-5-7-14(8-6-12)27(3)11-13-9-22-17-16(24-13)19(30)26-20(21-2)25-17/h5-9H,4,10-11H2,1-3H3,(H,23,29)(H2,21,22,25,26,30)